Vitas-M small molecule compound

6-(4-methyl-2-nitrophenoxy)-2-propyl-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STL295326
SMILES CCCn1c(=O)c2ccc(c3c2c(c1=O)ccc3)Oc1ccc(cc1[N+](=O)[O-])C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C22H18N2O5 MW 390.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O5/c1-3-11-23-21(25)15-6-4-5-14-18(10-8-16(20(14)15)22(23)26)29-19-9-7-13(2)12-17(19)24(27)28/h4-10,12H,3,11H2,1-2H3
InChIKey
SPFOOUXGCPJJPK-UHFFFAOYSA-N
Synonyms

6(4methyl2nitrophenoxy)2propyl1Hbenzo(de)isoquinoline13(2H)dione
6(4methyl2nitrophenoxy)2propylbenzo(de)isoquinoline13dione
CCCN1C(=O)C2=C3C(=C(C=C2)OC4=C(C=C(C=C4)C)(N+)(=O)(O))C=CC=C3C1=O
CCCn1c(=O)c2ccc(c3c2c(c1=O)ccc3)Oc1ccc(cc1(N+)(=O)(O))C
InChI=1SC22H18N2O5c13112321(25)156451418(10816(20(14)15)22(23)26)29199713(2)1217(19)24(27)28h41012H311H212H3
MFCD28032939
ZINC000095470979
ZINC95470979

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Available files

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